3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C23H24ClN5O3 — CID 20873430

IUPAC3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESClc1ccc(-c2noc3ncnc(N(CCCN4CCOCC4)Cc4ccco4)c23)cc1
InChIInChI=1S/C23H24ClN5O3/c24-18-6-4-17(5-7-18)21-20-22(25-16-26-23(20)32-27-21)29(15-19-3-1-12-31-19)9-2-8-28-10-13-30-14-11-28/h1,3-7,12,16H,2,8-11,13-15H2
InChIKeyLIXOHHFECZGNOR-UHFFFAOYSA-N
MW453.93 g/mol
LogP4.26
Rot. Bonds8

About 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 20873430) has the molecular formula C23H24ClN5O3 and a molecular weight of 453.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID20873430
Molecular FormulaC23H24ClN5O3
Molecular Weight453.93 g/mol
Exact Mass453.16
IUPAC Name3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESClc1ccc(-c2noc3ncnc(N(CCCN4CCOCC4)Cc4ccco4)c23)cc1
InChIInChI=1S/C23H24ClN5O3/c24-18-6-4-17(5-7-18)21-20-22(25-16-26-23(20)32-27-21)29(15-19-3-1-12-31-19)9-2-8-28-10-13-30-14-11-28/h1,3-7,12,16H,2,8-11,13-15H2
InChIKeyLIXOHHFECZGNOR-UHFFFAOYSA-N
XLogP4.26
TPSA80.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 20873430) is 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Clc1ccc(-c2noc3ncnc(N(CCCN4CCOCC4)Cc4ccco4)c23)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is LIXOHHFECZGNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3/c24-18-6-4-17(5-7-18)21-20-22(25-16-26-23(20)32-27-21)29(15-19-3-1-12-31-19)9-2-8-28-10-13-30-14-11-28/h1,3-7,12,16H,2,8-11,13-15H2.
What are the key properties of 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 453.93 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 20873430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).